SCHEMBL3766201

SCHEMBL3766201

O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.71
TDP1 Q9NUW8 2/20 0.71
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 9/20 0.57
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
NPSR1 Q6W5P4 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
RECQL P46063 2/20 0.54
THRB P10828 2/20 0.54
G6PD P11413 1/20 0.54
CASP6 P55212 1/20 0.54
PLIN1 O60240 1/20 0.53
PABPC1 P11940 1/20 0.53
PLIN5 Q00G26 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
MAPK1 P28482 3/20 0.51
ITGA4 P13612 4/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3766205 1.00 MAPT (0.71) MAPTTDP1KDM4EALDH1A1KMT2A
SCHEMBL14432335 1.00 MAPT (0.71) MAPTTDP1KDM4EALDH1A1KMT2A
SCHEMBL3762870 0.87 MAPT (0.61) MAPTTDP1KDM4EALDH1A1KMT2A
SCHEMBL3762869 0.87 MAPT (0.61) MAPTTDP1KDM4EALDH1A1KMT2A
SCHEMBL3763333 0.84 MAPT (0.74) MAPTTDP1KDM4EALDH1A1KMT2A
SCHEMBL3763335 0.84 MAPT (0.74) MAPTTDP1KDM4EALDH1A1KMT2A
SCHEMBL13165183 0.68 MAPT (0.70) MAPTTDP1KDM4EALDH1A1KMT2A
SCHEMBL4366480 0.68 MAPT (0.56) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL13164871 0.67 MEN1 (1.00) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL14713042 0.66 XDH (0.69) MAPTTDP1KDM4EALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MAPT 4500/4885TDP1 2320/4885KDM4E 2546/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MAPT 4500/4885TDP1 2320/4885KDM4E 2546/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.